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| CAS No.: | 54835-76-6 |
| Molecular Formula | C₁₆H₂₂O₁₀ |
| Molecular Weight | 374.34g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
IUPAC Name: (1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI: InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey: JSKCJJNYSGWZDU-RQJSCMEKSA-N
Canonical SMILES: C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
Isomeric SMILES: C=C1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Synonyms: Gardoside; 54835-76-6; (1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid; CHEMBL3622810; CHEBI:80827; HY-N8046; FS-7242; DA-53515; …
Botanical Source: Gardenia jasminoides Ellis
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